| SpectraBase Spectrum ID |
3iAUQqMH12H |
| Name |
6,6,6-Trifluoro-5-(4-methoxyphenyl)-3,3-dimethylhex-4-en-1-yl benzoate |
| Appearance |
Light yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.159929087 u |
| Formula |
C22H23F3O3 |
| GC Column |
HP-5 MS (30 m x 250 micrometer, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C22H23F3O3/c1-21(2,13-14-28-20(26)17-7-5-4-6-8-17)15-19(22(23,24)25)16-9-11-18(27-3)12-10-16/h4-12,15H,13-14H2,1-3H3 |
| InChIKey |
ZLJXWJYMIPSGJR-UHFFFAOYSA-N |
| Instrument Name |
Agilent 7890B GC-5977B MSD |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1002/adsc.202300491 |
| Molecular Weight |
392.418 g/mol |
| Quality |
610 |
| Reported Formula |
C22H23F3O3 |
| SMILES |
C(=CC(CCOC(=O)C1=CC=CC=C1)(C)C)(C1=CC=C(C=C1)OC)C(F)(F)F |
| SPLASH |
splash10-0pb9-1690000000-bcf3fdcbcc3160db3dc5 |
| Sample Comments |
E/Z = 3.5:1 |
| Source of Spectrum |
ASC-365-SM27-2s (DOI: 10.1002/adsc.202300491) |
| Wiley ID |
1909703 |
